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lenary
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There are 6 letters in LENARY ( A1E1L1N1R1Y4 )
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The Lennard-Jones potential (also termed the L-J potential, 6-12 potential, or 12-6 potential) is a mathematically simple model that approximates the interaction between a pair of neutral atoms or molecules. A form of this interatomic potential was first proposed in 1924 by John Lennard-Jones. The most common expressions of the L-J potential are* * * * * V * * LJ * * * = * 4 * ε * * [ * * * * ( * * * σ * r * * * ) * * * 12 * * * − * * * ( * * * σ * r * * * ) * * * 6 * * * * ] * * = * ε * * [ * * * * ( * * * * r * * m * * * r * * * ) * * * 12 * * * − * 2 * * * ( * * * * r * * m * * * r * * * ) * * * 6 * * * * ] * * , * * * {\displaystyle V_{\text{LJ}}=4\varepsilon \left[\left({\frac {\sigma }{r}}\right)^{12}-\left({\frac {\sigma }{r}}\right)^{6}\right]=\varepsilon \left[\left({\frac {r_{\text{m}}}{r}}\right)^{12}-2\left({\frac {r_{\text{m}}}{r}}\right)^{6}\right],} * where ε is the depth of the potential well, σ is the finite distance at which the inter-particle potential is zero, r is the distance between the particles, and rm is the distance at which the potential reaches its minimum. At rm, the potential function has the value −ε. The distances are related as rm = 21/6σ ≈ 1.122σ. These parameters can be fitted to reproduce experimental data or accurate quantum chemistry calculations. Due to its computational simplicity, the Lennard-Jones potential is used extensively in computer simulations even though more accurate potentials exist. |